2-chloranyl-6-fluoranyl-N-[[4-(3-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: 2-chloranyl-6-fluoranyl-N-[[4-(3-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: 2-chloro-6-fluoro-N-[[4-(m-tolyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: 2-chloro-6-fluoro-N-[[4-(3-methylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: 2-chloro-6-fluoro-N-[[4-(3-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: 2-chloro-6-fluoro-N-[[4-(m-tolyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H20ClFN4OS MolecularWeight: 418.915403

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=CC(=C2)C)CNC(=O)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H20ClFN4OS/c1-3-10-28-20-25-24-17(26(20)14-7-4-6-13(2)11-14)12-23-19(27)18-15(21)8-5-9-16(18)22/h4-9,11H,3,10,12H2,1-2H3,(H,23,27)